5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide

C13H16BrNO — CID 65306796

IUPAC5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)C1CC1
InChIInChI=1S/C13H16BrNO/c1-8-3-6-11(14)7-12(8)13(16)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,15,16)
InChIKeyUGBZLIPSDKVWPK-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.29
Rot. Bonds3

About 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide

5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide (PubChem CID 65306796) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
PubChem CID65306796
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)C1CC1
InChIInChI=1S/C13H16BrNO/c1-8-3-6-11(14)7-12(8)13(16)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,15,16)
InChIKeyUGBZLIPSDKVWPK-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromo-2-methylbenzamide
CID 77064909
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide (CID 65306796) is 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC(C)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide?
The InChIKey is UGBZLIPSDKVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-8-3-6-11(14)7-12(8)13(16)15-9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide?
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide has a molecular weight of 282.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide is sourced from PubChem (CID 65306796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).